Glycoside
GD012077
Name:
NoneFormula:
C22H17O5N2ClSSmiles:
N#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccs2)nc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
N#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccs2)nc1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.9 | Num_heavy_atoms: | 30 |
| TPSA: | 115.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD03030
Formula: C17H9ON2ClS
Smiles:
N#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccs2)nc1O| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 312.78 | Num_heavy_atoms: | 21 |
| TPSA: | 56.91 | NumAromaticRings: | 3 |
